CAS 1131614-68-0

3-Iodo-4-(4-methyl-1-piperazinyl)benzoic acid

Description:

3-Iodo-4-(4-methyl-1-piperazinyl)benzoic acid is a chemical compound characterized by its structural features, which include a benzoic acid moiety substituted with an iodine atom and a piperazine ring. The presence of the iodine atom at the 3-position of the benzene ring contributes to its unique reactivity and potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The piperazine group, located at the 4-position, enhances the compound's ability to interact with biological targets, making it of interest in drug design. This compound is likely to exhibit moderate solubility in organic solvents and may have specific interactions with receptors or enzymes due to its functional groups. Its molecular structure suggests potential for various chemical reactions, including nucleophilic substitutions and coupling reactions, which are valuable in synthetic organic chemistry. Overall, 3-Iodo-4-(4-methyl-1-piperazinyl)benzoic acid represents a versatile scaffold for further chemical modifications and biological evaluations.

Formula: C₁₂H₁₅IN₂O₂

InChI: InChI=1S/C12H15IN2O2/c1-14-4-6-15(7-5-14)11-3-2-9(12(16)17)8-10(11)13/h2-3,8H,4-7H2,1H3,(H,16,17)

InChI key: InChIKey=GYBAYCQDHTUNAO-UHFFFAOYSA-N

SMILES: IC1=C(C=CC(C(O)=O)=C1)N2CCN(C)CC2

Synonyms:

• 3-Iodo-4-(4-methyl-1-piperazinyl)benzoic acid
• Benzoic acid, 3-iodo-4-(4-methyl-1-piperazinyl)-